4-[2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]-3-methoxy-benzaldehyde

Systemtic Name: 4-[2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]-3-methoxy-benzaldehyde Openeye Name: 4-[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]-3-methoxy-benzaldehyde CAS Name: 4-[2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethoxy]-3-methoxybenzaldehyde IUPAC Name: 4-[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]-3-methoxybenzaldehyde Traditional Name: 4-[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]ethoxy]-3-methoxy-benzaldehyde Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCOC2=C(C=C(C=C2)C=O)OC)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCCOC2=C(C=C(C=C2)C=O)OC)CC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3S/c1-3-24-20(14-16-7-5-4-6-8-16)22-23-21(24)28-12-11-27-18-10-9-17(15-25)13-19(18)26-2/h4-10,13,15H,3,11-12,14H2,1-2H3